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3-[4-(dimethylsulfamoyl)phenyl]propanoic acid

3-[4-(dimethylsulfamoyl)phenyl]propanoic acid

CAS: 91248-47-4

Formula: C11H15NO4S

SMILES: CN(C)S(=O)(=O)C1=CC=C(CCC(O)=O)C=C1

IUPAC: 3-[4-(dimethylsulfamoyl)phenyl]propanoic acid

InChI: InChI=1S/C11H15NO4S/c1-12(2)17(15,16)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7H,5,8H2,1-2H3,(H,13,14)

Composition: C (51.35%), H (5.88%), N (5.44%), O (24.87%), S (12.46%)

Molar Mass: 257.3

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 257.072179141
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZIKKLXQGFFMRAY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.92
Topological Polar Surface Area 74.68
Polarizability 25.38
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 91248-47-4 $529.40$529.40
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